Met000293: Spectinomycin

  Metabolite Information

Name
Spectinomycin
IUPAC Name
(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one
Molecular Formula
C14H24N2O7
Molecular Weight
332.35
Exact Mass
332.1583511
SMILES
CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O
InChIKey
UNFWWIHTNXNPBV-WXKVUWSESA-N
InChI
InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
Other Databases Link
PubChem:15541

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Organoheterocyclic compounds
        Class: Dioxanes
            Subclass: 1,4-dioxanes

  Crops containing this metabolite

avocado
bittermelon

  Metabolite Spectrum Accession Label

AVO00701p
BIT00018p